5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one

C10H14N2OS — CID 12783850

IUPAC5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]cc1C1CCCCC1
InChIInChI=1S/C10H14N2OS/c13-9-8(6-11-10(14)12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13,14)
InChIKeyQHKMTSDIZBFYCS-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.48
Rot. Bonds1

About 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one

5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 12783850) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID12783850
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]cc1C1CCCCC1
InChIInChI=1S/C10H14N2OS/c13-9-8(6-11-10(14)12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13,14)
InChIKeyQHKMTSDIZBFYCS-UHFFFAOYSA-N
XLogP2.48
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyl-1,3-dihydroimidazole-2-thione
CID 79006683
5-(1,1-dioxothian-4-yl)-1H-pyrimidine-2,4-dione
CID 117260555
3-cyclohexyl-1H-pyridin-2-one
CID 54127669
5-amino-3-cyclopentyl-1H-pyridin-2-one
CID 172992509
4-cycloheptyl-1,3-dihydroimidazol-2-one
CID 105438957
ethane;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 156733967
4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25143092
7-cyclohexyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 19100721
5-piperidin-2-yl-1H-pyrimidine-2,4-dione
CID 115020167
3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one
CID 123353922
3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one
CID 67124359
5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 15954537

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 12783850) is 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one is O=c1[nH]c(=S)[nH]cc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is QHKMTSDIZBFYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-9-8(6-11-10(14)12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12,13,14).
What are the key properties of 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one?
5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 210.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 12783850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).